ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate

C11H18N2O2 — CID 79100861

IUPACethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate
SMILESCCOC(=O)CCNn1c(C)ccc1C
InChIInChI=1S/C11H18N2O2/c1-4-15-11(14)7-8-12-13-9(2)5-6-10(13)3/h5-6,12H,4,7-8H2,1-3H3
InChIKeyPEJCAVNIQNFRII-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.60
Rot. Bonds5

About ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate

ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate (PubChem CID 79100861) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate
PubChem CID79100861
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate
SMILESCCOC(=O)CCNn1c(C)ccc1C
InChIInChI=1S/C11H18N2O2/c1-4-15-11(14)7-8-12-13-9(2)5-6-10(13)3/h5-6,12H,4,7-8H2,1-3H3
InChIKeyPEJCAVNIQNFRII-UHFFFAOYSA-N
XLogP1.60
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(pyrrol-1-ylamino)propanoate
CID 79100627
ethyl 3-anilinopropanoate
CID 10910393
ethyl 2-(2,5-dimethylpyrrol-1-yl)acetate
CID 12894114
ethyl 3-(methylamino)propanoate;methane
CID 159702101
aniline;ethyl 3-anilinopropanoate
CID 158808649
ethyl 3-(4-methylanilino)propanoate
CID 23052674
ethyl 3-(2-iodoanilino)propanoate
CID 43174220
ethyl 3-(2-phenoxyethylamino)propanoate
CID 60647928
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 78916962
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
ethyl 3-[(2-ethylbenzoyl)amino]propanoate
CID 70914012
ethyl 3-(benzotriazol-2-yl)propanoate
CID 3783568

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate?
The IUPAC name of ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate (CID 79100861) is ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate is CCOC(=O)CCNn1c(C)ccc1C.
What is the InChIKey of ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate?
The InChIKey is PEJCAVNIQNFRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-15-11(14)7-8-12-13-9(2)5-6-10(13)3/h5-6,12H,4,7-8H2,1-3H3.
What are the key properties of ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate?
ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate is sourced from PubChem (CID 79100861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).